From owner-chemistry@ccl.net  Sat Mar  2 10:31:49 1996
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Date: Sat, 2 Mar 1996 10:09:19 +22305133 (EST)
From: Michael Kotelyanskii <kotelyan@che.udel.edu>
Subject: Force-field for Ions
To: chemistry@ccl.net
In-Reply-To: <2.2.32.19960214212021.02e0215c@swan.wcc.wesleyan.edu>
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Dear CCL'ers,

I am trying to do simulations of the hydrated polymers in water and also
with the presence of salts (Li+,Na+..... ions).

For several reasons I am doing it with Biosym and CVFF forcefield,
It was embarassing to find out that CVFF (at least the version we have here)
has Lennard-Jones parameters only for Na+ and Ca.
Biosym people suggest me to switch to CFF91, or some
more recent version of it 
but unfortunately it is not good for our purposes.

So, my question
1) Is anybody aware of such parameters ?
2) Any references to the experimental (or other simulaton) data which can be
used to parametrize the force-field. And some not very expansive ways
to parametrize it.
I would like to avoid Large-scale ab-initio calculations.

Thank you in advance,
Of course I'll summarize the responses if there is an interes
Mike

Michael Kotelyanskii PhD
Department of Chemical Engineering
University of Delaware                          kotelyan@che.udel.edu
Newark DE 19716                                    


From WEIA@delphi.com  Sat Mar  2 15:31:54 1996
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To: fchen@sola.com.au, DENNIS@biomed.med.yale.edu, jianou@jianou.Eng.Sun.COM,
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The following message was originated by Edward L. Green and recieved from
Steven Taylor.

----------------------------------------------------------------------------
TAKE 10 MINUTES TO READ THIS LETTER TWICE .. IF YOU FOLLOW THIS PROGRAM
EXACTLY, YOU WILL MAKE AT LEAST $50,000 IN 4 MONTHS.

If you do not wish to try this program, please pass it onto a friend
 ... thank you.

Dear Friend,

The enclosed information is something I almost let slip through my
fingers.  Fortunately, sometime later, I re-read everything, and gave
some thought and study to it.

My name is Steven Taylor.  Two years ago, the corporation where I had
worked for the past twelve years downsized, and my position was
eliminated.  After many unproductive interviews, I decided to open my
own business.  Over the past year, I have incurred many unforeseen
financial problems.  I owed my family, friends and creditors over
$35,000.  The economy was taking a toll on my new business and I just
couldn't seem to make ends meet.  I had to refinance and borrow against
my home to support my family and struggling business.  I truly believed
it was wrong for me to be in debt like this.  At that moment, something
significant happened in my life and I am writing to share my experience
in hopes that this letter will change your life for ever... financially.

In mid-December, I received this program in the mail.  Six months prior
to receiving this program, I had been sending away for information on
various business opportunities.  All of the programs I received, in my
opinion, were not cost effective.  They were either too difficult for me
to comprehend or the initial investment was too much for me to risk to
see if they worked or not.  One claimed I'd make a million dollars in
one year ... it didn't tell me I had to write a book to make it.

But like I was saying, in December of '92 I received this program in the
mail.  I didn't send for it, or ask for it, they just got my name off a
mailing list.  THANK GOODNESS FOR THAT.  After reading it several times
to make sure I was reading correctly, I couldn't believe my eyes.  Here
was a money-making phenomenon. I could invest as much as I wanted to
start, without putting me much farther in debt, and after I got a pencil
and a pen, and figured it out.  I'd make at least my money back.  After
determining that the program was LEGAL and not a chain letter, I
figured, 'why not?"

I initially sent out 250 letters.  It cost me $72.50 for stamps, $6 for
envelopes and about $74 for the printing.  I am telling you like it is,
I hope it doesn't turn you off., but I promised myself that I would not
"rip off" anybody, no matter how much money it would cost me.  Wanting o
keep my costs low on my first mailing, I got my names out of my local
phone book instead of buying a mailing list.  I thought It would be
better to contact married people instead of single, because married
people seem to need the money.  I mailed them all between December 27
and January 3, 1993.

In less than one week, I was starting to receive orders for Report #1.
By January 13th, I had received 26 orders to report #1.  If you read the
Guarantee in the program, you see that "you must receive 15 to 20 or
more orders for report #1 within 2 weeks.  If you don't, send out more
programs until you do!  My first step in making $50,000 in 20 to 90 days
was done.  By January 30th, I had received 196 orders for Report #2.

If you go back to the Guarantee, "You must recieve 100 or more orders
for Report #2 within 2 weeks, if not send out for more programs until
you do! Once you have the 100 orders, the rest is easy, relax, you will
make your $50,000 goal".  Well, I had 196 orders for Report #2, 96 more
than I needed.  So I sat back and relaxed.  By March 19th off my mailing
250, I received $58,000 with more coming in every day.

I paid off all my debts, bought a much needed new car and send 1,000
more letters.  This time I bought a mailing list using a company that
did all of the copying, folding, stuffing, sealing, and stamping for me.
 They sent the ready-to-mail letters to me and I took them to the Post
Office.  All this and more is in Report #3.

Please take this time to read the attached program, it will change your
life forever! Remember, it won't work if you don't try it.  This
program, but you must follow it exactly! Especially the rules of not
trying to place your name in a different place, it won't work, you'll
loss out on a lot of money.  Report #2 explains this, and always follow
guarantee ...15 to 20 or more for report #1, and 100 or more for report
#2, and you'll make $50,000 or more in 20 to 90 days! I'm living proof
that it works!

If you choose not to participate in this program, I'm sorry.  It really
is a great opportunity with little cost or risk to you.  If you do
choose to participate, follow the program exactly and you'll be on your
way to financial security.

Sincerely,

Steven Taylor

P.S. Do you have any idea what 11,700 $5 bills ($58,000) look like piled
up on a kitchen table.  It's awesome!!

"THE LAUGH WAS ON ME"

"When I received the program in the mail I grumbled to my wife, Doris,
about receiving 'junk mail"!  I made fun of the whole thing... I "knew"
it wouldn't work!  Doris totally ignored me, jumped in with both feet,
and mailed out 500 programs.  Well, the laugh was on me!  Within 90
days, she had received over $147,000 in 5 bills!!!  I was stunned!  -
Frank T., Bel-Aire, MD

"GET RICH SCHEME"

"When I first received this program, I thought it was just another "get
rich scheme" that was too good to be true.  However, after rereading the
program three (3) times, I mailed out 1,000 programs, and guess what?
It is a get rich scheme!"  -Fred J. Denver, CO

"THREW IT AWAY"

"I had received this program before.  I threw it away, but later I
wondered if I shouldn't have given it a try.  Of course, I had no idea
who to contact to get a copy, so I had to wait until I was mailed
another copy of the program.  Eleven months passed, then it came.  I
didn't throw this one away.  I made $41,000 on the first try!!!" - Dawn
W., Evansville, IN

"NO FREE LUNCH"

"My late father always told me 'Remember, Alan, there is no free lunch
in life.  You get out of life what you put into it.'  Through trial and
error and a somewhat slow, frustrating start, I finally figured it out.
 The program works well, I just had to find the right target group of
people to send it to.  So far this year, I have made over $63,000 using
this program.  I know my Dad would have been very proud of me." - Alan
B. Philadelphia, PA


         A  PERSONAL  NOTE  FROM  THE  ORIGINATOR  OF  THIS  PROGRAM

By the time you have read the enclosed information and looked over the
program and reports, you should have concluded that such a program, and
one that is legal could not have been created by an amateur.

Let me tell you a little about myself.  I had a profitable business for
ten years.  Then in 1979, my business began falling off.  I was doing
the same things that were previously successful for me, but it just
wasn't working.  Finally, I figured it out.  It wasn't me, it was the
economy.  Inflation and recession had replaced the stable economy that
had been with us since 1945. I don't have to tell you what happened to
the unemployment rate...because many of you know from first hand
experience.  There were more small business failures and bankruptcies
than ever before.

The middle class was vanishing. Those who knew what they were doing
invested wisely and moved up. Those who did not, including those who
never had anything to save or invest, were moving down into the ranks of
the poor.  As the saying goes "THE RICH GET RICHER AND THE POOR GET
POORER".  The traditional methods of making money will never allow you
to "move up" or "get rich".  Inflation will see to that.

You have just received information that can give you financial freedom
for the rest of your life.  With "NO RISK" and "JUST A LITTLE BIT OF
EFFORT" you can make more money in the next few months than you have
ever imagined!

I should also point out that I will not see a penny of your money, or
that of anyone else who participates in this program. I have already
made over FOUR MILLION DOLLARS!  I have retired from the program after
sending out over 16,000.

Follow the program EXACTLY AS INSTRUCTED.  Do not change it in any way.
 It works exceedingly well as it is now.  Remember to send a copy of
this exciting program to everyone that you can think of.  Do not feel
hesitant about sending only a few dozen programs in the beginning.  One
of the people you send this to may send out 5,000...and your name will
be on every one of them!  REMEMBER THOUGH, the more you send out, the
more potential customers you well reach.

So, my friend, I have given you the ideas, information, materials and
opportunity to become financially independent.  IT IS UP TO YOU NOW!
                                                                        
                                      Edward L. Green

THINK  ABOUT  IT

"Before you throw this program in the trash, as I almost did, take a
little time to read it and REALLY THINK ABOUT IT. Get a pencil and
figure out what could happen when you participate.  Figure out the worst
possible response and no matter how you calculate it, you will still
make a lot of money! The only thing that can go wrong is if you forget
to put postage on your mail.  I even checked with the U.S. Postal
Service to verify that this program is legal.  It definitely is! (Refer
to Title 18, Sections 1302 and 1341 of the Postal and Lottery Code).
Any doubts you have will vanish when your first orders come in.  IT
WORKS!!" - Paul Johnson, Raleigh, NC

       
           HERE'S  HOW THIS  AMAZING  PROGRAM  WILL MAKE  YOU  $$$$$

Let's say that you start small just to see how it goes, and we'll assume
that you and all of those involved send out only 200 programs each.
Let's also assume that the mailing receives a 5% response.  Using a good
list, the response could be better.  Also, many people will send out
thousands of programs instead of 200.  But, continuing with this
example, you send out only 200 programs, with a 5% response, that is 10
orders for REPORT #1. Those 10 people respond by sending out 200
programs each for a total of 2,000. And 5% of those, or 100 response and
order REPORT #2. Those 100 mail out 200 programs each for a total of
20,000. The 5% respond to those is 1,000 order for REPORT #3. Those
1,000 send out 200 programs each for a 200,000 total. The 5% response to
that  is 10,000 orders for REPORT #4.  That's 10,000 five dollar bills
for you.  Cash!!! Your total income in this example is  $50 + $500 + $
5,000 + $50,000 for total of  $55,550!!!

REMEMBER, THIS IS ASSUMING 95% OUT OF 100 PEOPLE YOU MAIL TO WILL DO
ABSOLUTELY NOTHING...AND TRASH THIS PROGRAM! DEAR TO THINK FOR A MOMENT
WHAT WOULD HAPPEN IF EVERYONE SENT OUT 1,000 PROGRAMS INSTEAD OF ONLY
200!!! Believe me, many people will do that and more!  Keep in mind that
your investment is minimal (it's money invested in you) and consider
yourself fortunate to be invited to participate in an exclusive program
that really WORKS!

This is a LEGITIMATE, LEGAL, money-making opportunity.  It does not
require you to come in contact with people, do any hard work, and best
of all you never have to leave the house except to get the mail. If you
believe that someday you'll get that lucky break that you've been
waiting for, THIS IS IT!  Simply follow the easy instruction, and your
dream will come true! The multi-level mail order marketing program works
perfectly...100% EVER TIME!

MULTI-LEVEL MARKETING (MLM) has finally gained respectability. It is
being taught in the Harvard Business School, and both Stanford Research
and the Wall Street Journal have stated that between 50% and 65% of all
goods and services well be sold through Multi-Level methods by the mid
1990's. This is a Multi-Billion Dollar industry and of  the 500,000
millionaires in the U.S., 20% (100,000) made their fortune in the last
seven years in MLM.  Moreover, statistics show that 45 people become
millionaires every day through Multi-Level Marketing!


"I  WAS  SURPRISED"
"This is the only realistic money-making offer I have ever received.  I
participated because this marketing program makes sense! I only sent out
200 letters, but I was surprised when $5 dollar bill started filling my
mail box. By the time it tapered off, I had received over 8,000 orders
with over $40,000 in cash!" - Carl Winslow, Tulsa, OK


                              

                              INSTRUCTIONS

We, in the multi-level mail order marketing business, have a method of
raising capital that really works 100% every time! I'm sure you could
use $50,000 to $125,000 in the next 20 to 90 days.  Before you say
"Bull", please study this program carefully.

This is not a chain letter, but a perfect legal money-making
opportunity.  Basically, this is what we do: as with all multilevel
businesses, we build our business by recruiting new partners and selling
our products.  Every state in the USA allows you to recruit new
multi-level business partners, and we offer a product for every dollar
sent.  Your orders come and are filled through the mail.  So you are not
involved in personal selling.  You do it privately in your own home,
store or office!

Each order you receive and fill will have a self-addressed and stamped
envelope in it and a $5 bill. To fill each order, you simply put the
product - a series of four (4) Financial and Business Reports in the
envelope and mail it back.  That is it ... the $5 is yours.

This is the GREATEST multi-level mail order marketing anywhere:

(1) Order all four reports listed and numbered.  Do this by ordering one
report from each of the four names listed on the next page.  For each
report, send $5 in cash and a self-addressed stamped envelope (business
size 10) to the person listed for that specific report.  You'll need all
4 reports because you'll be reprinting and selling them.  Do not alter
the names or sequences other than what instructions say.  Important:
Always provide same day service on all orders.

(2) Replace the name and address under report #1 with yours, moving the
one that was there down to Report #2.  Move the name and address under
Report #2 down to Report #3, moving the one that was there down to
Report #4.  The name and address that was under report #4 is dropped
from the list, and this party is no doubt on the way to bank!  Type the
names and addresses on a small piece of paper and tape them to their new
positions.  When doing this make certain that you type the names and
address accurately! Do not move product/report positions!!!

(3) Having made the required changes in the name list, take that page
and all others you have just received to your "quick print" shop to have
as many copies made as you can afford.  You can always print more later
as the need arises.  The more copies printed, the bigger the discount.

(4) Send a copy of the entire program to everyone whose name and address
 you can get your hands on.  Start with friends and relatives since you
can encourage them to take advantage of this fabulous money-making
opportunity.  Then as time and finance allow, mail to anyone and every
one!  Use your imagination.  You can get names and addresses from phone
books and other publications.  Best of all, purchase a mailing list.
This will give you the advantage of quality names in the quantity you
desire.  10,000 names cost about $1000.  You'll find that a good name
list will make you more money than any other approach.  It's a great
investment!

IMPORTANT: You won't get a good response if you use an old or free list.
 So always request a fresh new list.  You will find out where to
purchase these lists when you order for the reports.

Always provide the same day service on all orders!!!

                              REQUIRED REPORTS

Order each report by number and name.  ALWAYS SEND A SELF ADDRESSED
STAMPED ENVELOPE AND $5 CASH FOR EACH REPORT
--------------------------------------------------------------------------------
                              REPORT #1
"HOW TO MAKE $250,000 THROUGH MULTI-LEVEL SALES" This report shows how
you can really make $250,000 in 3 months.  Plus:a Bonus report:
Financial Security: "How to earn it and keep it" and "How to pay less
tax and establish good credit".

To order Report #1, please send $5 and a SASE to:
                              Quality Book
                              P. O. Box 25323
                              Woodbury, MN 55125-0323
--------------------------------------------------------------------------------
                             Report #2
"MAJOR CORPORATIONS AND MULTI-LEVEL SALES."  Learn the money making
secrets of some well-known corporate giants and how you can profit from
these money making secrets too.

To order Report #2, please send $5 and a SASE to:
                                Next Inc.
                                P. O. Box 28332
                                Oakdale, MN 55128
----------------------------------------------------------------------------
----                                Report #3
"SOURCES FOR THE BEST MAILING LIST".  You have learned the importance of
a good mailing list. Here is where you can send for them.

To order Report #3, please send $5 and a SASE to:
                                Victory Marketing
                                P. O. Box 111934
                                Anchorage, AK 99511
----------------------------------------------------------------------------
----                                Report #4
"EVALUATING MULTI-LEVEL SALES PLANS"
Find out which plans work, which ones don't ... and why not!

To order Report #4, please send $5 and a SASE to:
                                E. J. Colvin Enterprises
                                P. O. Box 279
                                Hawthorne, FL 32640

                               


                                CONCLUSION

I am enjoying an early secure retirement on the future that I made by
sending out this program. You, too, will be making money in 20 to 90
days...If you follow the SIMPLE STEPS outlined in this mailing.

To be financially independent is to be FREE. Free to make financial
decisions as never before. Go into business, get into investments,
retire or take a vacation. No longer will a lack of money hold you back.

However, very few people reach financial independence because when
opportunity knocks, they choose to ignore it. It is much easier to say
"NO" than "YES", and this is now the question that you must answer. Will
you ignore this amazing opportunity or will you take advantage of it?
If you do not think that this is a spectacular opportunity, then please
feel free to write to the sender of this information. You will get a
prompt and very informative reply.

My method is simple, I sell thousands of people a product for $5 that
costs me pennies to produce and mail. I should also point out that this
program is legal and everyone who participates will make money. This is
not a chain letter. At times you have probably received chain letters,
asking you to send money, on faith, but getting NOTHING in return. NO
product what-so-ever!  Not only are chain letters illegal, but the risk
of someone breaking the chain makes them quite unattractive.

You are offering a legitimate product to your people. After they
purchase the product from you, they reproduce more and resell them. It's
a simple, free enterprise.  As you have learned from the enclosed
material, the PRODUCT is a series of four (4) FINANCIAL AND BUSINESS
REPORTS.   The information contained  in these REPORTS will not only
help you in making your participation in this program more rewarding,
but will be useful to you in any other business decisions you make in
the years ahead.  You are also buying the rights to reprint all of the
REPORTS, which will be ordered from you by those to whom you mail this
program. The concise one and two page REPORTS you will be buying can
easily be reproduced at a local copy center for a cost of about 3 cents
a copy.  Good luck with the program and God Bless You.
                                                                        
                                     Edward L. Green


"IT WAS TRULY AMAZING"

"Not being the gambling type, it took me several weeks to make up my
mind to participate in this program.  But, conservative as I am, I
decided that the initial investment was so little that there was no way
that I could not get enough orders to at least get my money back.  BOY,
was I ever surprised when I found  my medium-sized post office box
crammed with orders!  After that, it got overloaded that I had to start
picking up my mail at the window.  IT was truly amazing!  I will make
more money this year than any 10 years of my life before." - Mary
Rockland, Lansing, MI


"I would like to say to the 'disbelievers', I am sending out my second
multi-level mail order marketing letters now.  The first time it cost
less than $200 to mail 300 letters and I have already earned $88,430
with more coming in!  I expect even better results this time!" - J.T.
Adams, Gila Bend, AZ


                                TIPS FOR SUCCESS

Send for your four (4 ) Reports immediately so that you will have them
when the orders start coming in because: when you receive a $5 order,
you MUST send out the requested product/service to comply with  U.S.
Postal and Lottery laws, Title 18. Sections 1302 and 1341, which
specifically state that: "A PRODUCT or SERVICE MUST BE EXCHANGED FOR
MONEY RECEIVED."

WHILE YOU WAIT FOR THE REPORTS TO ARRIVE:

(1) Name your new company. You may use your own name if you desire.
(2) Get a post office box. (optional)
(3) Re-type the names and addresses on a small piece of paper, including
yours, and tape them under the CORRECT REPORT according to the
instructions. You must remember, your name and address go next to REPORT
#1 and the others all move down one with the fourth one being bumped OFF
the list.
(4) Obtain as many names as possible to send to until you receive the
information on mailing list companies in REPORT #3.
(5) Decide on the number of programs you intend to send out.  The more
you send, and the quicker you send them, the more money you will make.
(6) Make copies of ALL pages. The number of copies will be determined by
the size of your mailing list. Copies must be GOOD and legible, as your
customers will be copying them too.
(7) Prepare the envelopes for mailing.
(8) After mailing the programs, get ready to fill the orders.
(9) Copy the four (4) Reports so that you are able to send them out as
you receive an order.
IMPORTANT: Always provide same-day service on the orders you receive!
(10) Make certain the letter and REPORTS are neat and legible. Re-type
them if necessary.


                                YOUR GUARANTEE
The check point which Guarantees your success is simply this: you must
receive 15 to 20 orders for REPORT #1!  THIS IS A MUST!!  If you don't
within two weeks, send out more programs until you do. Then a couple of
weeks later you should receive at least 100 orders for REPORT #2.  If
you don't, send out more programs until you do.  Once you have received
100 or more orders for REPORT #2, you can sit back and relax, because
YOU ARE GOING TO MAKE AT LEAST $50,000.  Also remember, every time your
name is moved down the list you are in front of a different REPORT, so
you can keep track of your program by knowing what people are ordering
from you.  IT'S THAT EASY!

REMEMBER: "He who dares nothing, need hope for anything"

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From: weia@delphi.com
Subject: $Opportunity$



